8-[1-[2,6-di(propan-2-yl)phenyl]-7-methylimidazo[4,5-f]quinolin-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane

C50H46F3IrN5OSi-2 — CID 156671882

About 8-[1-[2,6-di(propan-2-yl)phenyl]-7-methylimidazo[4,5-f]quinolin-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane

8-[1-[2,6-di(propan-2-yl)phenyl]-7-methylimidazo[4,5-f]quinolin-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane (PubChem CID 156671882) has the molecular formula C50H46F3IrN5OSi-2 and a molecular weight of 1010.25 g/mol. Its IUPAC name is 8-[1-[2,6-di(propan-2-yl)phenyl]-7-methylimidazo[4,5-f]quinolin-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane.

Molecular Properties

• Compound Name: 8-[1-[2,6-di(propan-2-yl)phenyl]-7-methylimidazo[4,5-f]quinolin-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane
• PubChem CID: 156671882
• Molecular Formula: C50H46F3IrN5OSi-2
• Molecular Weight: 1010.25 g/mol
• Exact Mass: 1010.31
• IUPAC Name: 8-[1-[2,6-di(propan-2-yl)phenyl]-7-methylimidazo[4,5-f]quinolin-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane
• SMILES: Cc1c[c-]c(-c2ccc([Si](C)(C)C)cn2)cc1.Cc1ccc2c(ccc3nc(-c4[c-]ccc5c4oc4nc(C(F)(F)F)ccc45)n(-c4c(C(C)C)cccc4C(C)C)c32)n1.[Ir]
• InChI: InChI=1S/C35H28F3N4O.C15H18NSi.Ir/c1-18(2)21-8-6-9-22(19(3)4)30(21)42-31-25-13-12-20(5)39-27(25)15-16-28(31)40-33(42)26-11-7-10-23-24-14-17-29(35(36,37)38)41-34(24)43-32(23)26;1-12-5-7-13(8-6-12)15-10-9-14(11-16-15)17(2,3)4;/h6-10,12-19H,1-5H3;5-7,9-11H,1-4H3;/q2*-1
• InChIKey: NACYOBRGRUAYGP-UHFFFAOYSA-N
• XLogP: 13.31
• TPSA: 69.63 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1010.25
LogP ≤ 5	13.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-[1-[2,6-di(propan-2-yl)phenyl]-7-methylimidazo[4,5-f]quinolin-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane?

The IUPAC name of 8-[1-[2,6-di(propan-2-yl)phenyl]-7-methylimidazo[4,5-f]quinolin-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane (CID 156671882) is 8-[1-[2,6-di(propan-2-yl)phenyl]-7-methylimidazo[4,5-f]quinolin-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane.

What is the SMILES notation for 8-[1-[2,6-di(propan-2-yl)phenyl]-7-methylimidazo[4,5-f]quinolin-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane?

The canonical SMILES for 8-[1-[2,6-di(propan-2-yl)phenyl]-7-methylimidazo[4,5-f]quinolin-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane is Cc1c[c-]c(-c2ccc([Si](C)(C)C)cn2)cc1.Cc1ccc2c(ccc3nc(-c4[c-]ccc5c4oc4nc(C(F)(F)F)ccc45)n(-c4c(C(C)C)cccc4C(C)C)c32)n1.[Ir].

What is the InChIKey of 8-[1-[2,6-di(propan-2-yl)phenyl]-7-methylimidazo[4,5-f]quinolin-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane?

The InChIKey is NACYOBRGRUAYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H28F3N4O.C15H18NSi.Ir/c1-18(2)21-8-6-9-22(19(3)4)30(21)42-31-25-13-12-20(5)39-27(25)15-16-28(31)40-33(42)26-11-7-10-23-24-14-17-29(35(36,37)38)41-34(24)43-32(23)26;1-12-5-7-13(8-6-12)15-10-9-14(11-16-15)17(2,3)4;/h6-10,12-19H,1-5H3;5-7,9-11H,1-4H3;/q2*-1;.

What are the key properties of 8-[1-[2,6-di(propan-2-yl)phenyl]-7-methylimidazo[4,5-f]quinolin-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane?

8-[1-[2,6-di(propan-2-yl)phenyl]-7-methylimidazo[4,5-f]quinolin-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane has a molecular weight of 1010.25 g/mol, XLogP of 13.31, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[1-[2,6-di(propan-2-yl)phenyl]-7-methylimidazo[4,5-f]quinolin-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane is sourced from PubChem (CID 156671882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).